SCHEMBL20436166

SCHEMBL20436166

CC(C=O)NC(=O)CCCCC(=O)NCCN1C(=O)C=CC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.39
PTGS2 P35354 4/20 0.39
OPRM1 P35372 4/20 0.38
OPRD1 P41143 4/20 0.38
OPRK1 P41145 4/20 0.38
AKT1 P31749 1/20 0.36
HTT P42858 3/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
FAAH O00519 2/20 0.34
MGLL Q99685 2/20 0.34
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
PKM P14618 2/20 0.33
HSP90AA1 P07900 1/20 0.33
TLR9 Q9NR96 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
TP53 P04637 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21276451 1.00 PTGS1 (0.39) PTGS1PTGS2OPRM1OPRD1OPRK1
SCHEMBL26231801 0.92 AKT1 (0.36) PTGS1PTGS2OPRM1OPRD1OPRK1
SCHEMBL26231883 0.92 AKT1 (0.36) PTGS1PTGS2OPRM1OPRD1OPRK1
SCHEMBL29633571 0.88 PTGS1 (0.53) PTGS1PTGS2HTTHPGDSMN1; SMN2
SCHEMBL22538847 0.85 PTGS1 (0.39) PTGS1PTGS2OPRM1OPRD1OPRK1
SCHEMBL23691617 0.84 ALDH1A1 (0.35) HTTHPGDSMN1; SMN2ALDH1A1LMNA
SCHEMBL24990014 0.84 ALDH1A1 (0.35) HTTHPGDSMN1; SMN2ALDH1A1LMNA
SCHEMBL23331904 0.82 OPRM1 (0.36) PTGS1PTGS2OPRM1OPRD1OPRK1
SCHEMBL14463606 0.82 PTGS1 (0.35) PTGS1PTGS2OPRM1OPRD1OPRK1
SCHEMBL22618132 0.81 PTGS1 (0.38) PTGS1PTGS2OPRM1OPRD1OPRK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4148044-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES ImmunoGen, Inc. (US) 2023-03-15 EP disclosed
US-20230039161-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2023-02-09 US disclosed
US-20210230114-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2021-07-29 US disclosed
US-20210139510-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2021-05-13 US disclosed
US-10913713-B2 Methods of preparing cytotoxic benzodiazepine derivatives IMMUNOGEN, INC. (US) 2021-02-09 US disclosed
US-10844078-B2 Methods of preparing cytotoxic benzodiazepine derivatives IMMUNOGEN, INC. (US) 2020-11-24 US disclosed
US-20200172481-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2020-06-04 US disclosed
WO-2020102053-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. (US) 2020-05-22 WO disclosed
US-10385071-B2 Methods of preparing cytotoxic benzodiazepine derivatives IMMUNOGEN, INC. (US) 2019-08-20 US disclosed
WO-2018140435-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. (US) 2018-08-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210230114-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA3, GABRA5, GABRA6 PTGS1 2639/4885PTGS2 2377/4885OPRM1 160/4885
US-10913713-B2 Methods of preparing cytotoxic benzodiazepine derivatives GABRA3, GABRA5, GABRA6 PTGS1 2639/4885PTGS2 2377/4885OPRM1 160/4885
US-10844078-B2 Methods of preparing cytotoxic benzodiazepine derivatives GABRA3, GABRA5, GABRA6 PTGS1 2639/4885PTGS2 2377/4885OPRM1 160/4885
US-10385071-B2 Methods of preparing cytotoxic benzodiazepine derivatives GABRA3, GABRA5, GABRA6 PTGS1 2639/4885PTGS2 2377/4885OPRM1 160/4885
US-20230039161-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA3, GABRA5, GABRA6 PTGS1 2639/4885PTGS2 2377/4885OPRM1 160/4885
US-20210139510-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA3, GABRA5, GABRA6 PTGS1 2639/4885PTGS2 2377/4885OPRM1 160/4885
US-20200172481-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA3, GABRA5, GABRA6 PTGS1 2639/4885PTGS2 2377/4885OPRM1 160/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.